3-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]pyrazine-2-carbonitrile

C12H9N7OS — CID 133374396

IUPAC3-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]pyrazine-2-carbonitrile
SMILESCc1occc1-c1nnc(Sc2nccnc2C#N)n1N
InChIInChI=1S/C12H9N7OS/c1-7-8(2-5-20-7)10-17-18-12(19(10)14)21-11-9(6-13)15-3-4-16-11/h2-5H,14H2,1H3
InChIKeyMAHXXUYALKWMPI-UHFFFAOYSA-N
MW299.32 g/mol
LogP1.37
Rot. Bonds3

About 3-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]pyrazine-2-carbonitrile

3-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]pyrazine-2-carbonitrile (PubChem CID 133374396) has the molecular formula C12H9N7OS and a molecular weight of 299.32 g/mol. Its IUPAC name is 3-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]pyrazine-2-carbonitrile
PubChem CID133374396
Molecular FormulaC12H9N7OS
Molecular Weight299.32 g/mol
Exact Mass299.06
IUPAC Name3-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]pyrazine-2-carbonitrile
SMILESCc1occc1-c1nnc(Sc2nccnc2C#N)n1N
InChIInChI=1S/C12H9N7OS/c1-7-8(2-5-20-7)10-17-18-12(19(10)14)21-11-9(6-13)15-3-4-16-11/h2-5H,14H2,1H3
InChIKeyMAHXXUYALKWMPI-UHFFFAOYSA-N
XLogP1.37
TPSA119.44 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]pyrazine-2-carbonitrile with MolForge

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Related Compounds

2-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carbonitrile
CID 133374433
3-(2-methylfuran-3-yl)-5-(4-methylpyrimidin-2-yl)sulfanyl-1,2,4-triazol-4-amine
CID 133374393
3-(2-methylfuran-3-yl)sulfanylpyrazine-2-carbonitrile
CID 86785837
3-(5-bromopyrimidin-2-yl)sulfanyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-4-amine
CID 133374447
3-(2-methylfuran-3-yl)-5-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]-1,2,4-triazol-4-amine
CID 133472602
2-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-5-nitrobenzonitrile
CID 133374468
4-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]butanenitrile
CID 24675003
3-(2-methylfuran-3-yl)-5-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylsulfanyl]-1,2,4-triazol-4-amine
CID 51209297
3-(2-methylfuran-3-yl)-5-(3-methyl-4-nitrophenyl)sulfanyl-1,2,4-triazol-4-amine
CID 133443770
3-(2-methylfuran-3-yl)-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-4-amine
CID 35168947
2-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitropyrido[1,2-a]pyrimidin-4-one
CID 133374442
3-(2-methylfuran-3-yl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 51141220

Frequently Asked Questions

What is the IUPAC name of 3-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]pyrazine-2-carbonitrile?
The IUPAC name of 3-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]pyrazine-2-carbonitrile (CID 133374396) is 3-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]pyrazine-2-carbonitrile is Cc1occc1-c1nnc(Sc2nccnc2C#N)n1N.
What is the InChIKey of 3-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]pyrazine-2-carbonitrile?
The InChIKey is MAHXXUYALKWMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N7OS/c1-7-8(2-5-20-7)10-17-18-12(19(10)14)21-11-9(6-13)15-3-4-16-11/h2-5H,14H2,1H3.
What are the key properties of 3-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]pyrazine-2-carbonitrile?
3-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]pyrazine-2-carbonitrile has a molecular weight of 299.32 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]pyrazine-2-carbonitrile is sourced from PubChem (CID 133374396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).